8-cyclohexyl-3-hydroxyoctanoic acid

C14H26O3 — CID 123754175

IUPAC8-cyclohexyl-3-hydroxyoctanoic acid
SMILESO=C(O)CC(O)CCCCCC1CCCCC1
InChIInChI=1S/C14H26O3/c15-13(11-14(16)17)10-6-2-5-9-12-7-3-1-4-8-12/h12-13,15H,1-11H2,(H,16,17)
InChIKeyDWZYARFAHYQLTJ-UHFFFAOYSA-N
MW242.36 g/mol
LogP3.35
Rot. Bonds8

About 8-cyclohexyl-3-hydroxyoctanoic acid

8-cyclohexyl-3-hydroxyoctanoic acid (PubChem CID 123754175) has the molecular formula C14H26O3 and a molecular weight of 242.36 g/mol. Its IUPAC name is 8-cyclohexyl-3-hydroxyoctanoic acid.

Molecular Properties

Compound Name8-cyclohexyl-3-hydroxyoctanoic acid
PubChem CID123754175
Molecular FormulaC14H26O3
Molecular Weight242.36 g/mol
Exact Mass242.19
IUPAC Name8-cyclohexyl-3-hydroxyoctanoic acid
SMILESO=C(O)CC(O)CCCCCC1CCCCC1
InChIInChI=1S/C14H26O3/c15-13(11-14(16)17)10-6-2-5-9-12-7-3-1-4-8-12/h12-13,15H,1-11H2,(H,16,17)
InChIKeyDWZYARFAHYQLTJ-UHFFFAOYSA-N
XLogP3.35
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R)-11-cycloheptyl-2-hydroxyundecanoic acid
CID 101288409
2-chloro-14-cyclohexyltetradecanoic acid
CID 174341935
6-cyclohexyl-3-methylhexanoic acid
CID 165358619
7-cyclohexylheptanoic acid
CID 71560336
19-cyclohexylnonadecanoic acid
CID 71352938
7-cycloheptylheptanoic acid
CID 135077063
8-cyclooctyloctanoic acid
CID 142719661
3-hydroxyheptadecanedioic acid
CID 23052244
3-hydroxydodecanedioic acid
CID 16663321
11-(3-deuteriocycloheptyl)(1113C)undecanoic acid
CID 10565022
11-(3-deuteriocycloheptyl)undecanoic acid
CID 10731719
4-(cyclohexylmethylamino)-3-hydroxybutanoic acid
CID 103237864

Frequently Asked Questions

What is the IUPAC name of 8-cyclohexyl-3-hydroxyoctanoic acid?
The IUPAC name of 8-cyclohexyl-3-hydroxyoctanoic acid (CID 123754175) is 8-cyclohexyl-3-hydroxyoctanoic acid.
What is the SMILES notation for 8-cyclohexyl-3-hydroxyoctanoic acid?
The canonical SMILES for 8-cyclohexyl-3-hydroxyoctanoic acid is O=C(O)CC(O)CCCCCC1CCCCC1.
What is the InChIKey of 8-cyclohexyl-3-hydroxyoctanoic acid?
The InChIKey is DWZYARFAHYQLTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O3/c15-13(11-14(16)17)10-6-2-5-9-12-7-3-1-4-8-12/h12-13,15H,1-11H2,(H,16,17).
What are the key properties of 8-cyclohexyl-3-hydroxyoctanoic acid?
8-cyclohexyl-3-hydroxyoctanoic acid has a molecular weight of 242.36 g/mol, XLogP of 3.35, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclohexyl-3-hydroxyoctanoic acid is sourced from PubChem (CID 123754175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).